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295803-03-1 | Tetracosanamide, N-[(1S,2S,3R,7E)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-2-hydroxy-, (2R)-
CAS No: 295803-03-1 Catalog No: AG002YT0 MDL No:
Product Description
Catalog Number:
AG002YT0
Chemical Name:
Tetracosanamide, N-[(1S,2S,3R,7E)-2,3-dihydroxy-1-(hydroxymethyl)-7-heptadecen-1-yl]-2-hydroxy-, (2R)-
CAS Number:
295803-03-1
Molecular Formula:
C42H83NO5
Molecular Weight:
682.1121
IUPAC Name:
(2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-8-en-2-yl]tetracosanamide
InChI:
InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h27,29,38-41,44-47H,3-26,28,30-37H2,1-2H3,(H,43,48)/b29-27+/t38-,39+,40+,41-/m0/s1
InChI Key:
BIVGPKIBTGZJJH-BMAQVQEHSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@H]([C@@H]([C@@H](CCC/C=C/CCCCCCCCC)O)O)CO)O
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
681.627g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
682.128g/mol
Monoisotopic Mass:
681.627g/mol
Rotatable Bond Count:
38
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.9
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